IA 4 methanesulfonate
2-[5-chloro-10-(hydroxymethyl)-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate
Also Known As: IA 4 methanesulfonate|IA 4|RefChem:1064952|AC1L21M1|2H-(1)-Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl-, monomethanesulfonate|2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, methanesulfonate (salt)|2H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 8-chloro-2-[2-(diethylamino)ethyl]-, monomethanesulfonate (salt)
| Molecular Formula | C21H26ClN3O4S2 |
|---|---|
| Molecular Weight | 483.10532 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 99.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.10532 |
| Heavy Atoms | 31 |
| Complexity | 1183.0 |
Chemical Identifiers
| CAS Number | 43047-59-2 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C3C(=C(C=C2)CO)SC4=C(C3=N1)C=CC(=C4)Cl.CS(=O)(=O)[O-] |
Product Overview
IA 4 methanesulfonate (CAS 43047-59-2), with molecular formula C21H26ClN3O4S2 and molecular weight 483.10532 g/mol. IUPAC: 2-[5-chloro-10-(hydroxymethyl)-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl]ethyl-diethylazanium;methanesulfonate.
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